SCHEMBL5545666

SCHEMBL5545666

O=C(c1ccc2ncccc2c1)c1ccc2noc(-c3cccc(Cl)c3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 1/20 0.54
IP6K1 Q92551 13/20 0.51
IP6K3 Q96PC2 12/20 0.51
IP6K2 Q9UHH9 12/20 0.51
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 2/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TP53 P04637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HPGD P15428 1/20 0.46
HSP90AA1 P07900 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5514440 0.85 ALDH1A1 (0.62) IP6K1IP6K3IP6K2ALDH1A1KDM4E
SCHEMBL5656312 0.82 IP6K1 (0.55) IP6K1IP6K3IP6K2ALDH1A1KDM4E
SCHEMBL3559449 0.82 ALDH1A1 (0.58) IP6K1IP6K3IP6K2ALDH1A1KDM4E
SCHEMBL3549996 0.82 IP6K1 (0.62) IP6K1IP6K3IP6K2ALDH1A1KDM4E
SCHEMBL5548740 0.81 ALDH1A1 (0.46) IP6K1IP6K3IP6K2ALDH1A1KDM4E
SCHEMBL5548743 0.80 DOT1L (0.55) DOT1LALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL3554883 0.80 KMT2A (0.61) IP6K1IP6K3IP6K2ALDH1A1KDM4E
SCHEMBL5656276 0.79 IP6K1 (0.51) IP6K1IP6K3IP6K2ALDH1A1KDM4E
SCHEMBL5022746 0.77 IP6K1 (0.52) IP6K1IP6K3IP6K2ALDH1A1KDM4E
SCHEMBL5550324 0.76 KDM4E (0.51) DOT1LALDH1A1KDM4EHTTHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196094-B2 Farnesyl transferase inhibiting 6-heterocyclylmethyl quinoline and quinazoline derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2007-03-27 US disclosed
US-20030207887-A1 Farnesyl transferase inhibiting 6-heterocyclylmethyl quinoline and quinazoline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-06 US disclosed
EP-1322650-A2 FARNESYL TRANSFERASE INHIBITING 6-HETEROCYCLYLMETHYL QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2003-07-02 EP disclosed
WO-2002024686-A2 FARNESYL TRANSFERASE INHIBITING 6-HETEROCYCLYLMETHYL QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2002-03-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030207887-A1 Farnesyl transferase inhibiting 6-heterocyclylmethyl quinoline and quinazoline derivatives FNTA, FNTB, RCE1 DOT1L 1987/4885IP6K1 1477/4885IP6K3 1628/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.